2-((5-Bromo-3-pyridinyl)methylene)-1-azabicyclo[2.2.2]octan-3-one

HCID 54525186
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Basic information

Standard SMILES
O=C1C(=Cc2cncc(Br)c2)N2CCC1CC2
InChIKey
YSQFYUWCMDYEDH-UHFFFAOYSA-N
Molecular formula
C13H13BrN2O
Average molar mass
293.16 g/mol

Names & identifiers

Preferred name
2-((5-Bromo-3-pyridinyl)methylene)-1-azabicyclo[2.2.2]octan-3-one
IUPAC
2-[(5-bromo-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Names & synonyms

SCHEMBL700826YSQFYUWCMDYEDH-UHFFFAOYSA-N2-((5-bromo-3-pyridyl)methylene)-1-azabicyclo[2.2.2]octan-3-one2-((5-bromo-3-pyridinyl)methylene)-1-azabicyclo[2.2.2]octan-3-one

Database identifiers

PubChem CID
54525186

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
33.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
17

Related reactions

14 records
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Linked notes

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